N-(2,6-dibromophenyl)benzenecarbothioamide

C13H9Br2NS — CID 134857773

IUPACN-(2,6-dibromophenyl)benzenecarbothioamide
SMILESS=C(Nc1c(Br)cccc1Br)c1ccccc1
InChIInChI=1S/C13H9Br2NS/c14-10-7-4-8-11(15)12(10)16-13(17)9-5-2-1-3-6-9/h1-8H,(H,16,17)
InChIKeyCJQALKVKCSFLOY-UHFFFAOYSA-N
MW371.10 g/mol
LogP5.00
Rot. Bonds2

About N-(2,6-dibromophenyl)benzenecarbothioamide

N-(2,6-dibromophenyl)benzenecarbothioamide (PubChem CID 134857773) has the molecular formula C13H9Br2NS and a molecular weight of 371.10 g/mol. Its IUPAC name is N-(2,6-dibromophenyl)benzenecarbothioamide.

Molecular Properties

Compound NameN-(2,6-dibromophenyl)benzenecarbothioamide
PubChem CID134857773
Molecular FormulaC13H9Br2NS
Molecular Weight371.10 g/mol
Exact Mass368.88
IUPAC NameN-(2,6-dibromophenyl)benzenecarbothioamide
SMILESS=C(Nc1c(Br)cccc1Br)c1ccccc1
InChIInChI=1S/C13H9Br2NS/c14-10-7-4-8-11(15)12(10)16-13(17)9-5-2-1-3-6-9/h1-8H,(H,16,17)
InChIKeyCJQALKVKCSFLOY-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.10
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromophenyl)benzenecarbothioamide
CID 899791
Benzenecarbothioamide, N-(4-bromophenyl)-
CID 1399104
3-bromo-N-(4-butylphenyl)benzenecarbothioamide
CID 3005909
(2,6-Dibromo-4-methylphenyl)thiourea
CID 2732132
N-Benzyl-2-bromoaniline
CID 10084034
N-(4-bromophenyl)-3-fluorobenzenecarbothioamide
CID 21629340
N-(4-bromophenyl)-4-fluorobenzenecarbothioamide
CID 21629349
Benzenecarbothioamide, N-(2-bromophenyl)-
CID 11437780
N-benzyl-2,4-dibromoaniline
CID 19092629
2-bromo-N-(4-methylphenyl)aniline
CID 123296167
Benzenecarbothioamide, N-(4-bromophenyl)-4-methyl-
CID 3001409
Benzenecarbothioamide, 3-bromo-N-phenyl-
CID 3001419

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromophenyl)benzenecarbothioamide?
The IUPAC name of N-(2,6-dibromophenyl)benzenecarbothioamide (CID 134857773) is N-(2,6-dibromophenyl)benzenecarbothioamide.
What is the SMILES notation for N-(2,6-dibromophenyl)benzenecarbothioamide?
The canonical SMILES for N-(2,6-dibromophenyl)benzenecarbothioamide is S=C(Nc1c(Br)cccc1Br)c1ccccc1.
What is the InChIKey of N-(2,6-dibromophenyl)benzenecarbothioamide?
The InChIKey is CJQALKVKCSFLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2NS/c14-10-7-4-8-11(15)12(10)16-13(17)9-5-2-1-3-6-9/h1-8H,(H,16,17).
What are the key properties of N-(2,6-dibromophenyl)benzenecarbothioamide?
N-(2,6-dibromophenyl)benzenecarbothioamide has a molecular weight of 371.10 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromophenyl)benzenecarbothioamide is sourced from PubChem (CID 134857773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).